COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.668   3.997  -0.002  1.00  0.00           C  
HETATM    2  N   UNL     1       3.239   3.677  -0.002  1.00  0.00           N  
HETATM    3  C   UNL     1       2.700   2.424  -0.001  1.00  0.00           C  
HETATM    4  C   UNL     1       1.300   2.589  -0.001  1.00  0.00           C  
HETATM    5  C   UNL     1       1.048   3.977  -0.002  1.00  0.00           C  
HETATM    6  N   UNL     1       2.190   4.605   0.004  1.00  0.00           N  
HETATM    7  C   UNL     1       0.488   1.436  -0.001  1.00  0.00           C  
HETATM    8  N   UNL     1       1.076   0.248   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.402   0.137   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       3.203   1.192  -0.001  1.00  0.00           N  
HETATM   11  C   UNL     1       3.005  -1.214   0.001  1.00  0.00           C  
HETATM   12  C   UNL     1       4.377  -1.375   0.007  1.00  0.00           C  
HETATM   13  C   UNL     1       4.957  -2.640   0.007  1.00  0.00           C  
HETATM   14  C   UNL     1       4.224  -3.781   0.001  1.00  0.00           C  
HETATM   15  C   UNL     1       2.815  -3.727  -0.004  1.00  0.00           C  
HETATM   16  C   UNL     1       2.160  -2.410   0.001  1.00  0.00           C  
HETATM   17  C   UNL     1       0.803  -2.645   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.614  -3.973   0.001  1.00  0.00           N  
HETATM   19  N   UNL     1       1.850  -4.630  -0.011  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.889   1.543  -0.001  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.717   0.334   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.195   0.728   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.060  -0.534   0.000  1.00  0.00           C  
HETATM   24  S   UNL     1      -5.813  -0.066   0.001  1.00  0.00           S  
HETATM   25  O   UNL     1      -6.106   0.590   1.226  1.00  0.00           O  
HETATM   26  O   UNL     1      -6.107   0.590  -1.225  1.00  0.00           O  
HETATM   27  C   UNL     1      -6.633  -1.684   0.001  1.00  0.00           C  
HETATM   28  H   UNL     1       5.024   4.072   1.026  1.00  0.00           H  
HETATM   29  H   UNL     1       5.217   3.210  -0.519  1.00  0.00           H  
HETATM   30  H   UNL     1       4.828   4.947  -0.512  1.00  0.00           H  
HETATM   31  H   UNL     1       0.073   4.441  -0.003  1.00  0.00           H  
HETATM   32  H   UNL     1       5.012  -0.501   0.011  1.00  0.00           H  
HETATM   33  H   UNL     1       6.035  -2.716   0.011  1.00  0.00           H  
HETATM   34  H   UNL     1       4.724  -4.739   0.001  1.00  0.00           H  
HETATM   35  H   UNL     1       0.028  -1.893   0.000  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.308   2.417  -0.001  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.499  -0.256  -0.890  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.498  -0.256   0.890  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.414   1.319   0.890  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.414   1.318  -0.890  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.842  -1.124  -0.890  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.841  -1.124   0.890  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.338  -2.241   0.891  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.713  -1.544   0.001  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.338  -2.241  -0.889  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.251  -4.413   0.001  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    1    3    6                                            
CONECT    3    2   10   10    4                                       
CONECT    4    3    7    7    5                                       
CONECT    5    4    6    6   31                                       
CONECT    6    2    5    5                                            
CONECT    7    4    4    8   20                                       
CONECT    8    7    9    9                                            
CONECT    9    8    8   11   10                                       
CONECT   10    3    3    9                                            
CONECT   11    9   12   12   16                                       
CONECT   12   11   11   13   32                                       
CONECT   13   12   14   14   33                                       
CONECT   14   13   13   15   34                                       
CONECT   15   14   19   19   16                                       
CONECT   16   11   15   17   17                                       
CONECT   17   16   16   18   35                                       
CONECT   18   17   19   46                                            
CONECT   19   15   15   18                                            
CONECT   20    7   21   36                                            
CONECT   21   20   22   37   38                                       
CONECT   22   21   23   39   40                                       
CONECT   23   22   24   41   42                                       
CONECT   24   23   27   26   26                                       
CONECT   24   25   25                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27   24   43   44   45                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    5                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   17                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   27                                                      
CONECT   44   27                                                      
CONECT   45   27                                                      
CONECT   46   18                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
